Fluorine in PDB 6ta3: Human Kinesin-5 Motor Domain in the Gsk-1 State Bound to Microtubules (Conformation 1)

The structure of Human Kinesin-5 Motor Domain in the Gsk-1 State Bound to Microtubules (Conformation 1) also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Fluorine atom in the Human Kinesin-5 Motor Domain in the Gsk-1 State Bound to Microtubules (Conformation 1) (pdb code 6ta3). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Human Kinesin-5 Motor Domain in the Gsk-1 State Bound to Microtubules (Conformation 1), PDB code: 6ta3:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Human Kinesin-5 Motor Domain in the Gsk-1 State Bound to Microtubules (Conformation 1)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Human Kinesin-5 Motor Domain in the Gsk-1 State Bound to Microtubules (Conformation 1) within 5.0Å range: probe atom residue distance (Å) B Occ K:F501 b:0.0 occ:1.00 F1 K:MZK501 0.0 0.0 1.0 C16 K:MZK501 1.4 0.0 1.0 F2 K:MZK501 2.1 0.0 1.0 F3 K:MZK501 2.2 0.0 1.0 C13 K:MZK501 2.4 0.0 1.0 OE2 K:GLU345 2.7 0.8 1.0 NE2 K:GLN106 2.9 0.8 1.0 C15 K:MZK501 3.1 0.0 1.0 CG K:GLU345 3.3 0.8 1.0 C14 K:MZK501 3.4 0.0 1.0 CD K:GLU345 3.5 0.8 1.0 CB K:GLU345 3.7 0.8 1.0 CD K:GLN106 3.9 0.8 1.0 CA K:GLU345 3.9 0.8 1.0 CG2 K:THR349 3.9 0.7 1.0 OE1 K:GLN106 4.1 0.8 1.0 O K:GLU345 4.1 0.8 1.0 C12 K:MZK501 4.4 0.0 1.0 CA K:GLY105 4.4 0.8 1.0 C K:GLU345 4.5 0.8 1.0 C11 K:MZK501 4.6 0.0 1.0 C K:GLY105 4.6 0.8 1.0 OE1 K:GLU345 4.7 0.8 1.0 CB K:SER348 4.7 0.7 1.0 CE2 K:TYR104 4.8 0.8 1.0 O K:GLY105 4.8 0.8 1.0 CD2 K:TYR104 4.9 0.8 1.0

Fluorine binding site 2 out of 3 in the Human Kinesin-5 Motor Domain in the Gsk-1 State Bound to Microtubules (Conformation 1)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Human Kinesin-5 Motor Domain in the Gsk-1 State Bound to Microtubules (Conformation 1) within 5.0Å range: probe atom residue distance (Å) B Occ K:F501 b:0.0 occ:1.00 F2 K:MZK501 0.0 0.0 1.0 C16 K:MZK501 1.4 0.0 1.0 F1 K:MZK501 2.1 0.0 1.0 F3 K:MZK501 2.1 0.0 1.0 C13 K:MZK501 2.4 0.0 1.0 C15 K:MZK501 2.8 0.0 1.0 CE2 K:TYR104 2.9 0.8 1.0 CD2 K:TYR104 3.0 0.8 1.0 C14 K:MZK501 3.7 0.0 1.0 CA K:GLY105 3.7 0.8 1.0 N K:GLY105 3.7 0.8 1.0 O K:GLY105 3.8 0.8 1.0 CZ K:TYR104 3.9 0.8 1.0 NE2 K:GLN106 3.9 0.8 1.0 C K:GLY105 4.0 0.8 1.0 CG K:TYR104 4.1 0.8 1.0 C12 K:MZK501 4.2 0.0 1.0 OE2 K:GLU345 4.3 0.8 1.0 CD1 K:LEU266 4.4 0.7 1.0 CD2 K:LEU292 4.5 0.7 1.0 OH K:TYR104 4.5 0.8 1.0 OE1 K:GLN106 4.7 0.8 1.0 CE1 K:TYR104 4.7 0.8 1.0 CD1 K:TYR104 4.8 0.8 1.0 C11 K:MZK501 4.8 0.0 1.0 CD K:GLN106 4.8 0.8 1.0 CG2 K:THR349 4.9 0.7 1.0 C K:TYR104 4.9 0.8 1.0

Fluorine binding site 3 out of 3 in the Human Kinesin-5 Motor Domain in the Gsk-1 State Bound to Microtubules (Conformation 1)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Human Kinesin-5 Motor Domain in the Gsk-1 State Bound to Microtubules (Conformation 1) within 5.0Å range: probe atom residue distance (Å) B Occ K:F501 b:0.0 occ:1.00 F3 K:MZK501 0.0 0.0 1.0 C16 K:MZK501 1.3 0.0 1.0 F2 K:MZK501 2.1 0.0 1.0 F1 K:MZK501 2.2 0.0 1.0 C13 K:MZK501 2.4 0.0 1.0 OE2 K:GLU345 2.7 0.8 1.0 C14 K:MZK501 2.9 0.0 1.0 CD2 K:LEU292 3.5 0.7 1.0 C15 K:MZK501 3.7 0.0 1.0 CD K:GLU345 3.7 0.8 1.0 CG K:GLU345 4.1 0.8 1.0 CE2 K:TYR104 4.2 0.8 1.0 C11 K:MZK501 4.3 0.0 1.0 NE2 K:GLN106 4.4 0.8 1.0 OE1 K:GLN106 4.6 0.8 1.0 CD2 K:TYR104 4.8 0.8 1.0 OE1 K:GLU345 4.8 0.8 1.0 C12 K:MZK501 4.8 0.0 1.0 CG K:LEU292 4.9 0.7 1.0 CZ K:TYR104 5.0 0.8 1.0

A.Pena, A.Sweeney, A.D.Cook, M.Topf, C.A.Moores. Structure of Microtubule-Trapped Human Kinesin-5 and Its Mechanism of Inhibition Revealed Using Cryoelectron Microscopy. Structure V. 28 450 2020.
ISSN: ISSN 0969-2126
PubMed: 32084356
DOI: 10.1016/J.STR.2020.01.013